2-methyl-5,5-dipentyl-2H-furan

C15H28O — CID 21450092

IUPAC2-methyl-5,5-dipentyl-2H-furan
SMILESCCCCCC1(CCCCC)C=CC(C)O1
InChIInChI=1S/C15H28O/c1-4-6-8-11-15(12-9-7-5-2)13-10-14(3)16-15/h10,13-14H,4-9,11-12H2,1-3H3
InChIKeyKRLOGXOSEFSGTQ-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.86
Rot. Bonds8

About 2-methyl-5,5-dipentyl-2H-furan

2-methyl-5,5-dipentyl-2H-furan (PubChem CID 21450092) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-methyl-5,5-dipentyl-2H-furan.

Molecular Properties

Compound Name2-methyl-5,5-dipentyl-2H-furan
PubChem CID21450092
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2-methyl-5,5-dipentyl-2H-furan
SMILESCCCCCC1(CCCCC)C=CC(C)O1
InChIInChI=1S/C15H28O/c1-4-6-8-11-15(12-9-7-5-2)13-10-14(3)16-15/h10,13-14H,4-9,11-12H2,1-3H3
InChIKeyKRLOGXOSEFSGTQ-UHFFFAOYSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-3-methyl-2-pentyloxirane
CID 154091449
(2S)-5-ethoxy-5-ethyl-2-methyl-2H-furan
CID 59974782
azane;2,3-dimethyl-2-octadecyloxirane;hydrochloride
CID 175468906
(2R)-2-hexadecyl-2,4-dimethyloxetane
CID 11638167
N-ethyl-3-methyl-2-tetradecyloxirane-2-carboxamide
CID 20511389
3,3,6,6,9,9-hexapentyl-1,2,4,5,7,8-hexaoxonane
CID 10745423
(1R,8S)-1-dodecyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 102580917
2-heptyl-2-octyl-1,3-dioxole
CID 141318565
1-ethyl-1-hexyl-2,3-dimethylcyclopropane
CID 123758014
N-methyl-2,2-bis(octadeca-9,12-dienyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-amine
CID 123718462
(3aS,6aR)-N-methyl-2-[(9Z,12Z)-octadeca-9,12-dienyl]-2-octadecyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-amine
CID 129287499
1,2-dimethyl-1-pentyl-3-propan-2-ylcyclopropane
CID 90804985

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,5-dipentyl-2H-furan?
The IUPAC name of 2-methyl-5,5-dipentyl-2H-furan (CID 21450092) is 2-methyl-5,5-dipentyl-2H-furan.
What is the SMILES notation for 2-methyl-5,5-dipentyl-2H-furan?
The canonical SMILES for 2-methyl-5,5-dipentyl-2H-furan is CCCCCC1(CCCCC)C=CC(C)O1.
What is the InChIKey of 2-methyl-5,5-dipentyl-2H-furan?
The InChIKey is KRLOGXOSEFSGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-4-6-8-11-15(12-9-7-5-2)13-10-14(3)16-15/h10,13-14H,4-9,11-12H2,1-3H3.
What are the key properties of 2-methyl-5,5-dipentyl-2H-furan?
2-methyl-5,5-dipentyl-2H-furan has a molecular weight of 224.39 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,5-dipentyl-2H-furan is sourced from PubChem (CID 21450092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).